IBS-ZINC01085100 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.6740 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 0.2880 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -0.5150 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 0.0460 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.4330 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 2.2690 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 3.7190 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 4.5750 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 5.8910 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 5.7690 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 4.4520 0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 6.7610 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 6.4370 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 7.5590 -0.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1700 8.4660 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 7.8480 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 8.7950 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 8.2610 -0.4920 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1760 9.3880 -1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 7.4730 -0.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 7.1650 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -2.3110 -0.2960 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -2.7970 0.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -2.5620 0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -2.6340 -1.8520 N 0 5 0 0 0 0 0 0 0 0 0 0 1.8250 -2.3770 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 2.2880 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -0.1570 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -0.5860 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 1.8470 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 4.2900 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 6.8130 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 7.8130 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 6.9180 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 8.2830 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 8.7540 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 9.8230 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 7.2950 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 6.1380 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 25 -1 M END